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8-Dicyanomethylene-3,12-(benzo[d][1,3]dithiol-2-ylidene)heptacyclo[6.6.0.0(2,6).0(4,11).0(5,9).0(10,14)]tetradecane
SpectraBase Compound ID DoIu2viamC4
InChI InChI=1S/C23H16N2S2/c24-5-7(6-25)10-11-13-15-12(10)16-14(11)18-17(13)21-19(15)20(16)22(18)23(21)26-8-3-1-2-4-9(8)27-23/h1-4,11-22H/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+
InChIKey RBKDMERMOADANE-YFRRTSPISA-N
Mol Weight 384.52 g/mol
Molecular Formula C23H16N2S2
Exact Mass 384.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE5okLesoSD
Name 8-Dicyanomethylene-3,12-(benzo[d][1,3]dithiol-2-ylidene)heptacyclo[6.6.0.0(2,6).0(4,11).0(5,9).0(10,14)]tetradecane
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Formula C23H16N2S2
InChI InChI=1S/C23H16N2S2/c24-5-7(6-25)10-11-13-15-12(10)16-14(11)18-17(13)21-19(15)20(16)22(18)23(21)26-8-3-1-2-4-9(8)27-23/h1-4,11-22H/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+
InChIKey RBKDMERMOADANE-YFRRTSPISA-N
Molecular Weight 384.515 g/mol
SMILES C12([C@]3([C@]4([C@@]5([C@]6([C@@]7([C@]4([C@@]2([C@]2([C@@]7([C@](C6=C(C#N)C#N)([C@@]5([C@@]32[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])Sc2ccccc2S1
SPLASH splash10-001i-0009000000-e21a93fbdb538fc20492
Source of Spectrum AT-42-31-3
Wiley ID 854993